Geometry & MOs

Info

ID:	837
PubChem CID:	3420
Reduced:	NPO7C30H46 (1)
Stoich.:	ABC7D30E46 (1)
Weight, g/mol:	563.30119
ΔH_f, kcal/mol:	-401.54
Dipole, Da:	10.09
IP(EA), eV:	-9.57(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3

DOS

IR

Vibrations